2,6-dimethyl-4-phenoxyaniline

C14H15NO — CID 12546819

IUPAC2,6-dimethyl-4-phenoxyaniline
SMILESCc1cc(Oc2ccccc2)cc(C)c1N
InChIInChI=1S/C14H15NO/c1-10-8-13(9-11(2)14(10)15)16-12-6-4-3-5-7-12/h3-9H,15H2,1-2H3
InChIKeyOHISJBPKYUXUFP-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.68
Rot. Bonds2

About 2,6-dimethyl-4-phenoxyaniline

2,6-dimethyl-4-phenoxyaniline (PubChem CID 12546819) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,6-dimethyl-4-phenoxyaniline.

Molecular Properties

Compound Name2,6-dimethyl-4-phenoxyaniline
PubChem CID12546819
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2,6-dimethyl-4-phenoxyaniline
SMILESCc1cc(Oc2ccccc2)cc(C)c1N
InChIInChI=1S/C14H15NO/c1-10-8-13(9-11(2)14(10)15)16-12-6-4-3-5-7-12/h3-9H,15H2,1-2H3
InChIKeyOHISJBPKYUXUFP-UHFFFAOYSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-methyl-4-phenoxyaniline
CID 129220510
2,6-dimethyl-4-phenoxybenzenethiol
CID 71052663
propan-2-yl 2-amino-3-methyl-5-phenoxybenzoate
CID 63897464
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
3,6-dimethyl-2-(4-phenoxyphenyl)aniline
CID 173271409
3-methylaniline;1-methyl-3-phenoxybenzene
CID 144834027
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
2-methyl-4-phenoxyphenol
CID 23089676
2-(2,6-dimethyl-4-phenoxyphenyl)acetaldehyde
CID 87392440
3-(4-aminophenoxy)-5-phenoxyaniline
CID 686776
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-phenoxyaniline?
The IUPAC name of 2,6-dimethyl-4-phenoxyaniline (CID 12546819) is 2,6-dimethyl-4-phenoxyaniline.
What is the SMILES notation for 2,6-dimethyl-4-phenoxyaniline?
The canonical SMILES for 2,6-dimethyl-4-phenoxyaniline is Cc1cc(Oc2ccccc2)cc(C)c1N.
What is the InChIKey of 2,6-dimethyl-4-phenoxyaniline?
The InChIKey is OHISJBPKYUXUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-8-13(9-11(2)14(10)15)16-12-6-4-3-5-7-12/h3-9H,15H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-phenoxyaniline?
2,6-dimethyl-4-phenoxyaniline has a molecular weight of 213.28 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-phenoxyaniline is sourced from PubChem (CID 12546819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).